4-[1-(4-methylphenyl)sulfonyl-1,2,3-triazol-4-yl]-4-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[1-(4-methylphenyl)sulfonyl-1,2,3-triazol-4-yl]-4-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-hydroxy-4-[1-(p-tolylsulfonyl)triazol-4-yl]cyclohexa-2,5-dien-1-one CAS Name: 4-hydroxy-4-[1-(4-methylphenyl)sulfonyl-4-triazolyl]-1-cyclohexa-2,5-dienone IUPAC Name: 4-hydroxy-4-[1-(4-methylphenyl)sulfonyltriazol-4-yl]cyclohexa-2,5-dien-1-one Traditional Name: 4-hydroxy-4-(1-tosyltriazol-4-yl)cyclohexa-2,5-dien-1-one Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=N2)C3(C=CC(=O)C=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=N2)C3(C=CC(=O)C=C3)O

InChI

InChI=1S/C15H13N3O4S/c1-11-2-4-13(5-3-11)23(21,22)18-10-14(16-17-18)15(20)8-6-12(19)7-9-15/h2-10,20H,1H3